1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

C20H27FN6O — CID 24817494

IUPAC1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESO=C(CCn1cncn1)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C20H27FN6O/c21-17-3-5-18(6-4-17)24-10-12-25(13-11-24)19-2-1-8-26(14-19)20(28)7-9-27-16-22-15-23-27/h3-6,15-16,19H,1-2,7-14H2
InChIKeyZNLUXLNVALFYOV-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.62
Rot. Bonds5

About 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 24817494) has the molecular formula C20H27FN6O and a molecular weight of 386.48 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID24817494
Molecular FormulaC20H27FN6O
Molecular Weight386.48 g/mol
Exact Mass386.22
IUPAC Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESO=C(CCn1cncn1)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C20H27FN6O/c21-17-3-5-18(6-4-17)24-10-12-25(13-11-24)19-2-1-8-26(14-19)20(28)7-9-27-16-22-15-23-27/h3-6,15-16,19H,1-2,7-14H2
InChIKeyZNLUXLNVALFYOV-UHFFFAOYSA-N
XLogP1.62
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one (CID 24817494) is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one is O=C(CCn1cncn1)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is ZNLUXLNVALFYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN6O/c21-17-3-5-18(6-4-17)24-10-12-25(13-11-24)19-2-1-8-26(14-19)20(28)7-9-27-16-22-15-23-27/h3-6,15-16,19H,1-2,7-14H2.
What are the key properties of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 386.48 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 24817494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).